2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride

2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride

CAS: 837-95-6

Formula: C7H3ClF3NO4S

SMILES: [O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)S(Cl)(=O)=O

IUPAC: 2-nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride

InChI: InChI=1S/C7H3ClF3NO4S/c8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14/h1-3H

Composition: C (29.03%), H (1.04%), Cl (12.24%), F (19.68%), N (4.84%), O (22.10%), S (11.07%)

Molar Mass: 289.61

Atom Count: 20

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	288.9423409
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	KXEMVGQZZLRLBE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.55
Topological Polar Surface Area	77.28
Polarizability	20.04
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	837-95-6		$179.52-$506.77$179.52$506.77